3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide

C16H20FN5O3 — CID 100830310

IUPAC3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)Cn1cc(COc2ccc(F)cc2)nn1
InChIInChI=1S/C16H20FN5O3/c1-21(2)16(24)7-8-18-15(23)10-22-9-13(19-20-22)11-25-14-5-3-12(17)4-6-14/h3-6,9H,7-8,10-11H2,1-2H3,(H,18,23)
InChIKeyRZIHOVJLCIUVLM-UHFFFAOYSA-N
MW349.37 g/mol
LogP0.59
Rot. Bonds8

About 3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide

3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide (PubChem CID 100830310) has the molecular formula C16H20FN5O3 and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide
PubChem CID100830310
Molecular FormulaC16H20FN5O3
Molecular Weight349.37 g/mol
Exact Mass349.16
IUPAC Name3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)Cn1cc(COc2ccc(F)cc2)nn1
InChIInChI=1S/C16H20FN5O3/c1-21(2)16(24)7-8-18-15(23)10-22-9-13(19-20-22)11-25-14-5-3-12(17)4-6-14/h3-6,9H,7-8,10-11H2,1-2H3,(H,18,23)
InChIKeyRZIHOVJLCIUVLM-UHFFFAOYSA-N
XLogP0.59
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
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2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110210647
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 100830214
3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100830471
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide
CID 100830958
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 171133252
N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide
CID 100830994
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 100831239
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide
CID 119055203
3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 61102926
2-[4-[[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458655

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide (CID 100830310) is 3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC(=O)Cn1cc(COc2ccc(F)cc2)nn1.
What is the InChIKey of 3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
The InChIKey is RZIHOVJLCIUVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O3/c1-21(2)16(24)7-8-18-15(23)10-22-9-13(19-20-22)11-25-14-5-3-12(17)4-6-14/h3-6,9H,7-8,10-11H2,1-2H3,(H,18,23).
What are the key properties of 3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide has a molecular weight of 349.37 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 100830310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).